Dynamical matrix file 1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.765652728711 1 1 0.0000000000 0.0000000000 0.0000000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.500000000 0.500000000 ) 1 1 0.09708778 0.00000000 0.05231864 0.00000000 0.05231864 0.00000000 0.05231864 0.00000000 0.09708778 0.00000000 0.05231864 0.00000000 0.05231864 0.00000000 0.05231864 0.00000000 0.09708778 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 -0.500000000 ) 1 1 0.09708778 0.00000000 -0.05231864 0.00000000 -0.05231864 0.00000000 -0.05231864 0.00000000 0.09708778 0.00000000 0.05231864 0.00000000 -0.05231864 0.00000000 0.05231864 0.00000000 0.09708778 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708778 0.00000000 -0.05231864 0.00000000 0.05231864 0.00000000 -0.05231864 0.00000000 0.09708778 0.00000000 -0.05231864 0.00000000 0.05231864 0.00000000 -0.05231864 0.00000000 0.09708778 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708778 0.00000000 0.05231864 0.00000000 -0.05231864 0.00000000 0.05231864 0.00000000 0.09708778 0.00000000 -0.05231864 0.00000000 -0.05231864 0.00000000 -0.05231864 0.00000000 0.09708778 0.00000000 Diagonalizing the dynamical matrix q = ( 0.500000000 0.500000000 0.500000000 ) ************************************************************************** freq ( 1) = 4.438931 [THz] = 148.066811 [cm-1] ( -0.035567 0.000000 -0.688652 0.000000 0.724219 0.000000 ) freq ( 2) = 4.438931 [THz] = 148.066811 [cm-1] ( 0.815722 0.000000 -0.438663 0.000000 -0.377059 0.000000 ) freq ( 3) = 9.422560 [THz] = 314.302786 [cm-1] ( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************